Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM13756' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM13756
((1R,3R,4S,7S)-4-(2-methyl-2-phenoxypropanamido)ada...)Show SMILES CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13-,14+,15?,17+,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det... |
Bioorg Med Chem Lett 17: 750-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM13756
((1R,3R,4S,7S)-4-(2-methyl-2-phenoxypropanamido)ada...)Show SMILES CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13-,14+,15?,17+,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Abbott Laboratories
| Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det... |
Bioorg Med Chem Lett 17: 750-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM13756
((1R,3R,4S,7S)-4-(2-methyl-2-phenoxypropanamido)ada...)Show SMILES CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13-,14+,15?,17+,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of 11beta-HSD1 |
Bioorg Med Chem Lett 18: 2479-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0 |
More data for this Ligand-Target Pair | |